Metal Organic Frameworks for Capture and Neutralisation of NOx and NH3: A Comprehensive EPR Study

用于捕获和中和 NOx 和 NH3 的金属有机框架：综合 EPR 研究

• 批准号: 2907742
• 金额: --
• 依托单位: University of Manchester
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2907742
• 关键词: Metal; Organic; Frameworks; Capture; Neutralisation

Metal organic frameworks (MOFs) are porous crystalline materials made of metal ions and organic entities called ligands. Choice of organic ligands allows to build functional 3D structures with large pores that can be used to capture, store and neutralise CO2, NO2, NO or NH3, providing solutions for reducing air pollution. Moreover, metal sites of MOFs can be used in catalysis to convert, photo- or electro-chemically, certain toxic substances into useful chemical products, an avenue that will also be explored in this project. The aim of the project is to develop robust metal-organic frameworks (MOFs) that can capture, separate and neutralize targeted air pollutants such as NO, NO2 and NH3, and to use advanced electron paramagnetic resonance techniques to understand the mechanisms involved in gas absorption and catalytic reactions occurring over MOF catalysts.Specific objectives can be summarized as follows: i) Synthesize robust metal-organic frameworks that incorporate varying organic ligands and diverse metal ions (Ti, Fe, Cu, Zr, Pd). ii) Characterize the compounds by standard physical techniques (XRD, NMR, SQUID, XPS, SEM).iii) Study the gas absorption and electronic properties of the compounds to establish their ability as catalysts.iv) Apply EPR to probe material stability versus absorption of corrosive gases.v) Explore the mechanisms of gas adsorption and related catalytic reactions by advanced EPR techniquesvi) Model recorded EPR data with specific software to gain understanding of their properties and how we can design better MOF materials for clean-air applications.The structure-function mechanistic information generated from research will help to design improved MOF structures for efficient gas adsorption and green energy production. The student will gain skills in the synthesis of metal organic frameworks, EPR spectroscopy, XRD, XPS, gas absorption, and catalysis monitored by EPR, as well as modelling of EPR spectra using specialised software.

金属有机框架（MOF）是由金属离子和称为配体的有机实体组成的多孔晶体材料。选择有机配体可以构建具有大孔的功能性 3D 结构，可用于捕获、储存和中和 CO2、NO2、NO 或 NH3，从而为减少空气污染提供解决方案。此外，MOF的金属位点可用于催化，通过光化学或电化学的方式将某些有毒物质转化为有用的化学产品，这也是该项目将探索的途径。该项目的目标是开发坚固的金属有机框架（MOF），能够捕获、分离和中和目标空气污染物，如NO、NO2和NH3，并利用先进的电子顺磁共振技术来了解气体吸收所涉及的机制具体目标可概括如下： i) 合成坚固的金属有机框架，其中包含不同的有机配体和不同的金属离子（Ti、Fe、Cu、Zr、Pd）。 ii) 通过标准物理技术（XRD、NMR、SQUID、XPS、SEM）表征化合物。iii) 研究化合物的气体吸收和电子特性，以确定其作为催化剂的能力。iv) 应用 EPR 来探测材料稳定性与吸收的关系v) 通过先进的 EPR 技术探索气体吸附和相关催化反应的机制 vi) 使用特定软件记录 EPR 数据的模型，以了解其特性以及如何设计更好的用于清洁空气应用的 MOF 材料。 -功能研究产生的机械信息将有助于设计改进的 MOF 结构，以实现高效的气体吸附和绿色能源生产。学生将获得金属有机框架合成、EPR 光谱、XRD、XPS、气体吸收和 EPR 监测催化以及使用专用软件进行 EPR 光谱建模的技能。